CID 57273971

1-(tetradecyloxy)propan-2-yl acetate

Structural Information

Molecular Formula
C19H38O3
SMILES
CCCCCCCCCCCCCCOCC(C)OC(=O)C
InChI
InChI=1S/C19H38O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-18(2)22-19(3)20/h18H,4-17H2,1-3H3
InChIKey
PCRBTNZNEYJDCH-UHFFFAOYSA-N
Compound name
1-tetradecoxypropan-2-yl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

991
Patents

314.2821 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.28938 187.3
[M+Na]+ 337.27132 189.0
[M-H]- 313.27482 185.3
[M+NH4]+ 332.31592 202.0
[M+K]+ 353.24526 187.1
[M+H-H2O]+ 297.27936 180.2
[M+HCOO]- 359.28030 205.7
[M+CH3COO]- 373.29595 212.1
[M+Na-2H]- 335.25677 184.9
[M]+ 314.28155 195.8
[M]- 314.28265 195.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe